1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile

C12H20N2O2S — CID 61134618

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile
SMILESN#CC1(N2CCCS2(=O)=O)CCCCCCC1
InChIInChI=1S/C12H20N2O2S/c13-11-12(7-4-2-1-3-5-8-12)14-9-6-10-17(14,15)16/h1-10H2
InChIKeyUAYCUMIQUTUOKQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.03
Rot. Bonds1

About 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile

1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile (PubChem CID 61134618) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile
PubChem CID61134618
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile
SMILESN#CC1(N2CCCS2(=O)=O)CCCCCCC1
InChIInChI=1S/C12H20N2O2S/c13-11-12(7-4-2-1-3-5-8-12)14-9-6-10-17(14,15)16/h1-10H2
InChIKeyUAYCUMIQUTUOKQ-UHFFFAOYSA-N
XLogP2.03
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile (CID 61134618) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile is N#CC1(N2CCCS2(=O)=O)CCCCCCC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile?
The InChIKey is UAYCUMIQUTUOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c13-11-12(7-4-2-1-3-5-8-12)14-9-6-10-17(14,15)16/h1-10H2.
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile has a molecular weight of 256.37 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbonitrile is sourced from PubChem (CID 61134618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).